2-Azidoethyl 2,3,4,6-Tetra-O-acetyl-β-D-glucopyranoside - ≥92%(HPLC) , CAS No.140428-81-5

CAS: 140428-81-5 Cat. No.: A151082 Peso molecular: 417.37 Número EC: 812-175-8

GRADE & PURITY ≥92%(HPLC)

Synonyms

T70259 | SCHEMBL17475614 | AS-11165 | MFCD19981034 | [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(2-azidoethoxy)oxan-2-yl]methyl acetate | AKOS037643240 | beta-D-Glucopyranoside, 2-azidoethyl, 2,3,4,6-tetraacetate | 2-Azidoethyl 2,3,4,6-Tetra-O-acetyl-beta-D-g

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

T70259 | SCHEMBL17475614 | AS-11165 | MFCD19981034 | [(2R, 3R, 4S, 5R, 6R)-3, 4, 5-triacetyloxy-6-(2-azidoethoxy)oxan-2-yl]methyl acetate | AKOS037643240 | beta-D-Glucopyranoside, 2-azidoethyl, 2, 3, 4, 6-tetraacetate | 2-Azidoethyl 2, 3, 4, 6-Tetra-O-acetyl-beta-D-g

Especificaciones y pureza

≥92%(HPLC)

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥92%(HPLC)

Nombres e identificadores

• Pubchem Sid: 488197598
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488197598
• Sonrisas canónicas: CC(=O)OCC1C(C(C(C(O1)OCCN=[N+]=[N-])OC(=O)C)OC(=O)C)OC(=O)C
• IUPAC Name: [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(2-azidoethoxy)oxan-2-yl]methyl acetate
• InChIKey: DPAXDKFCBLGMIZ-IBEHDNSVSA-N
• INCHI: 1S/C16H23N3O10/c1-8(20)25-7-12-13(26-9(2)21)14(27-10(3)22)15(28-11(4)23)16(29-12)24-6-5-18-19-17/h12-16H,5-7H2,1-4H3/t12-,13-,14+,15-,16-/m1/s1
• Isómeros SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OCCN=[N+]=[N-])OC(=O)C)OC(=O)C)OC(=O)C
• Peso molecular: 417.37
• Reaxy-Rn: 41274922
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=41274922&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Tetracarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Tetracarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetracarboxylic acids and derivatives
• Alternative Parents: Oxanes Monosaccharides Organic azides Carboxylic acid esters Alkyl azides Oxacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Tetracarboxylic acid or derivatives - Oxane - Monosaccharide - Organoazide - Alkyl azide - Organic azide - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as tetracarboxylic acids and derivatives. These are carboxylic acids containing exactly four carboxyl groups.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propiedades químicas y físicas

• Sensibilidad: heat sensitive
• Rotación específica [α]: -35° (C=1.5,CHCl3)
• Punto de fusión (°C): 115 °C
• Peso molecular: 417.370 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 13
• Exact Mass: 417.138 Da
• Monoisotopic Mass: 417.138 Da
• Topological Polar Surface Area: 138.000 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 663.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 5
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1